Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 15/20 | 0.51 |
| ▸ | SLC6A2 known ✓ | P23975 | 13/20 | 0.51 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 16/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.51 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL6576580 | 1.00 | NOS2 (0.51) | NOS2SLC6A4CYP2D6SLC6A2KCNH2 | |
| SCHEMBL6575167 | 0.92 | SLC6A4 (0.53) | NOS2SLC6A4CYP2D6SLC6A2KCNH2 | |
| Fumaric Acid SCHEMBL6577578 | 0.90 | NOS2 (0.59) | NOS2SLC6A4CYP2D6SLC6A2KCNH2 | |
| Fumaric Acid SCHEMBL6577583 | 0.90 | NOS2 (0.59) | NOS2SLC6A4CYP2D6SLC6A2KCNH2 | |
| Fumaric Acid SCHEMBL6500083 | 0.88 | NOS2 (0.67) | NOS2SLC6A4CYP2D6SLC6A2KCNH2 | |
| Fumaric Acid SCHEMBL6500086 | 0.88 | NOS2 (0.67) | NOS2SLC6A4CYP2D6SLC6A2KCNH2 | |
| Oxalic Acid SCHEMBL6577449 | 0.83 | NOS2 (0.60) | NOS2SLC6A4CYP2D6SLC6A2KCNH2 | |
| SCHEMBL6579325 | 0.81 | NOS2 (0.63) | NOS2SLC6A4CYP2D6SLC6A2KCNH2 | |
| SCHEMBL6575130 | 0.80 | NOS2 (0.64) | NOS2SLC6A4CYP2D6SLC6A2KCNH2 | |
| Oxalic Acid SCHEMBL6500140 | 0.80 | NOS2 (0.58) | NOS2SLC6A4CYP2D6SLC6A2KCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6743939-B2 | NITRIC OXIDE SYNTHASE INHIBITORS; SUCH AS 4-CHLORO-2-(((1)-4-(METHYLAMINO)-1-PHENYLBUTYL)OXY)BENZONITRILE | ASTRAZENECA AB (SE) | 2004-06-01 | — | — | US | disclosed |
| EP-1263714-B1 | NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2004-04-28 | — | — | EP | disclosed |
| US-20030105161-A1 | Novel phenylheteroalkylamine derivatives | ASTRAZENECA AB (SE) | 2003-06-05 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030105161-A1 | Novel phenylheteroalkylamine derivatives | NOS1, CYP1A1, NOS2 | SLC6A4 2202/4885SLC6A2 2667/4885KCNH2 621/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.